Geometry & MOs

Info

ID:	167081
PubChem CID:	74777919
Reduced:	N3O5C24H30 (1)
Stoich.:	A3B5C24D30 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-154.14
Dipole, Da:	5.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.938074
Charge, e:	0

Chem-info

IUPAC name:

7-[5-(hydroxymethyl)furan-2-yl]-3-(3-methoxyphenyl)-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C[NH+](CCC2=C1)C3CCCN(C3)C(=O)C4=NC=C(C=C4)C(=O)OC)OC

DOS

IR

Vibrations